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SCHEMBL7279684

SCHEMBL7279684

CCC(C)C(NC(=O)C1CCCN1C(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(N)CO)C(=O)NC(C(=O)O)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 16/20 0.57
▸ NTSR2 O95665 14/20 0.57
▸ AGTR1 P30556 1/20 0.56
▸ AGTR2 P50052 1/20 0.56
▸ NPY1R P25929 1/20 0.56
▸ NPY2R P49146 1/20 0.56
▸ NPY4R P50391 1/20 0.56
▸ NPY5R Q15761 1/20 0.56
▸ SORT1 Q99523 12/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29539289 0.97 AGTR2 (0.58) NTSR1NTSR2AGTR1AGTR2NPY1R
SCHEMBL30586993 0.91 NTSR2 (0.57) NTSR1NTSR2AGTR1AGTR2NPY1R
SCHEMBL31151767 0.90 SLC6A2 (0.59) NTSR1NTSR2AGTR1AGTR2SORT1
SCHEMBL29394357 0.89 NPY1R (0.59) NTSR1NTSR2AGTR1AGTR2NPY1R
SCHEMBL31465645 0.89 SLC6A2 (0.55) NTSR1NTSR2AGTR1AGTR2SORT1
SCHEMBL30622604 0.87 NTSR1 (0.59) NTSR1NTSR2SORT1
SCHEMBL29496648 0.85 NTSR1 (0.69) NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL31256951 0.85 NTSR1 (0.57) NTSR1NTSR2SORT1
SCHEMBL30478004 0.85 SLC6A2 (0.60) NTSR1NTSR2AGTR1AGTR2SORT1
SCHEMBL30853508 0.85 NTSR1 (0.60) NTSR1NTSR2NPY1RNPY2RNPY4R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0566237-A2 Retroviral protease inhibitors ELI LILLY AND COMPANY (US) 1993-10-20 — — EP disclosed